pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone

C16H17N5O3S2 — CID 138378478

IUPACpyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1cc2ncccn2n1)N1CCCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17N5O3S2/c22-16(13-12-14-17-5-2-8-21(14)18-13)19-6-3-7-20(10-9-19)26(23,24)15-4-1-11-25-15/h1-2,4-5,8,11-12H,3,6-7,9-10H2
InChIKeyIFLGQNHVTNROKB-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.33
Rot. Bonds3

About pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone

pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone (PubChem CID 138378478) has the molecular formula C16H17N5O3S2 and a molecular weight of 391.48 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
PubChem CID138378478
Molecular FormulaC16H17N5O3S2
Molecular Weight391.48 g/mol
Exact Mass391.08
IUPAC Namepyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1cc2ncccn2n1)N1CCCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17N5O3S2/c22-16(13-12-14-17-5-2-8-21(14)18-13)19-6-3-7-20(10-9-19)26(23,24)15-4-1-11-25-15/h1-2,4-5,8,11-12H,3,6-7,9-10H2
InChIKeyIFLGQNHVTNROKB-UHFFFAOYSA-N
XLogP1.33
TPSA87.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrazin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810480
(4-methylphenyl)-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798322
(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148460
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9120724
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388
[1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19472884
1-thiophen-2-ylsulfonylpiperidine
CID 765823
4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 18382172
(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19279155

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone (CID 138378478) is pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone is O=C(c1cc2ncccn2n1)N1CCCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone?
The InChIKey is IFLGQNHVTNROKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S2/c22-16(13-12-14-17-5-2-8-21(14)18-13)19-6-3-7-20(10-9-19)26(23,24)15-4-1-11-25-15/h1-2,4-5,8,11-12H,3,6-7,9-10H2.
What are the key properties of pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone?
pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone has a molecular weight of 391.48 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 138378478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).